SCHEMBL4134522

SCHEMBL4134522

CC(=O)Oc1ccccc1C(=O)Oc1ccc(CCl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.73
HSD17B10 Q99714 4/20 0.61
KDM4E B2RXH2 2/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
HPGD P15428 2/20 0.51
ESR1 P03372 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
HMGB1 P09429 1/20 0.51
GGT1 P19440 1/20 0.51
PTGS1 P23219 1/20 0.51
BLM P54132 1/20 0.51
NAPRT Q6XQN6 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 2/20 0.51
PDGFRB P09619 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4134586 0.87 PTGS2 (0.80) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL4325622 0.86 PTGS2 (0.73) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL4325931 0.85 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL16610065 0.84 PTGS2 (0.53) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL4959756 0.83 F2 (0.56) PTGS2HSD17B10KDM4ELMNACYP1A2
Phenylaspirinate SCHEMBL25954 0.83 HSD17B10 (0.75) PTGS2HSD17B10KDM4ELMNACYP1A2
Phenylaspirinate SCHEMBL29389369 0.83 HSD17B10 (0.75) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL4328045 0.82 HSD17B10 (0.65) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL24777597 0.82 PTGS2 (0.68) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL16610064 0.82 PTGS2 (0.51) PTGS2HSD17B10KDM4ELMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US claimed
EP-3049386-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES Universität zu Köln (DE) 2016-08-03 EP claimed
WO-2015044177-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2015-04-02 WO claimed
EP-1709155-B1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTPR LTD (KY) 2013-10-02 EP disclosed
US-7629368-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2009-12-08 US disclosed
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 US disclosed
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 US disclosed
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2008-08-14 US disclosed
US-7378437-B2 Use for the diabetes treatment of compounds or salts thereof, having the following general formula (I): A-(B)b0-(C)c0-NO2 wherein A contains the radical of a drug having an antiiflammatory or analgesic activity, B is a bivalen: linking NICOX S.A. (FR) 2008-05-27 US disclosed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 EP disclosed
EP-1709155-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF Kashfi, Khosrow (US) 2006-10-11 EP disclosed
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CONVERSANT INTELLECTUAL PROPERTY MANAGEMENT INC. (CA) 2005-08-18 US disclosed
WO-2005065361-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2005-07-21 WO disclosed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US disclosed
US-20040023890-A1 Drugs for diabetes NICOX S.A. (FR) 2004-02-05 US disclosed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 EP disclosed
EP-1324974-A2 DRUGS FOR DIABETES Nicox S.A. (FR) 2003-07-09 EP disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 WO disclosed
WO-2002030867-A2 DRUGS FOR DIABETES NICOX S.A. (FR) 2002-04-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES APC, BRCA1, VHL PTGS2 514/4885HSD17B10 1207/4885KDM4E 4338/4885
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR0B1, NOX1 PTGS2 110/4885HSD17B10 550/4885KDM4E 3984/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 PTGS2 141/4885HSD17B10 510/4885KDM4E 2184/4885
US-20040023890-A1 Drugs for diabetes SLC5A2, ADORA2B, UGT2B7 PTGS2 91/4885HSD17B10 647/4885KDM4E 3253/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 PTGS2 64/4885HSD17B10 606/4885KDM4E 4320/4885
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof PYGL, TP53, MKI67 PTGS2 689/4885HSD17B10 1234/4885KDM4E 4082/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.